* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    161    254     479
    1     0 S   NP   _N1_     1    28.58986    95.35334   -23.09620
    2     1 S   H    _HN1     2     1.02963    78.99413    28.53911
    3     1 S   H    _H1_     3     1.02837    32.82707   176.89455
    4     1 S   H    _H2_     4     1.02777   101.70662   -78.14939
    5     1 S   CT   _CA1     5     1.50132   138.50424   136.92258
    6     5 S   HC   _HA1     6     1.09576   105.21138    80.95066
    7     5 S   CO3  _C1_     7     1.53784   112.44781   -39.20324
    8     7 S   O2Z  _O11     8     1.26356   114.99487   -41.90570
    9     7 S   O2Z  _O12     9     1.26243   114.92929   137.25112
   10     5 S   CT   _CB1    10     1.53100   107.42262  -161.14445
   11    10 S   HC   HB11    11     1.09824   109.28230   -50.76674
   12    10 S   HC   HB12    12     1.09819   110.41437    65.77079
   13    10 S   CT   _CG1    13     1.53011   112.71721  -171.89305
   14    13 S   HC   HG11    14     1.09597   110.42201   -64.72759
   15    13 S   HC   HG12    15     1.09655   109.98153    54.49427
   16    13 S   C    _CD1    16     1.51828   112.36567   174.81016
   17    16 S   O    _OE1    17     1.22715   123.27129    -2.03105
   18    16 S   N    _N2_    18     1.38635   111.61528   178.27796
   19    18 S   H    _HN2    19     1.01577   118.99531     1.32736
   20    18 S   CT1  _CA2    20     1.46202   123.42895   179.85735
   21    20 S   HC   _HA2    21     1.09735   109.45080    -5.36823
   22    20 S   C    _C2_    22     1.53456   108.33889  -120.99469
   23    22 S   O    _O2_    23     1.23025   122.22272  -144.64214
   24    20 S   CT   _CB2    32     1.53383   111.51253   116.71044
   25    24 S   HC   HB21    33     1.09582   109.91665    55.74037
   26    24 S   HC   HB22    34     1.09436   109.90979   174.81435
   27    22 S   N    _N3_    24     1.38499   113.45098    42.62714
   28    27 S   H    _HN3    25     1.01506   118.96711    -0.42933
   29    24 S   S    _SG2    35     1.82627   111.61702   -65.40137
   30    27 S   CT   _CA3    26     1.45456   123.44930   175.20490
   31    30 S   HC   HA31    27     1.09521   109.25677    24.10703
   32    30 S   HC   HA32    28     1.09496   107.11414   141.11439
   33    29 S   CT   _C23    36     1.84693   100.06691   167.49746
   34    33 S   HC   _H4_    37     1.09751   108.24769   -45.61696
   35    30 S   CO3  _C3_    29     1.52925   113.11196   -99.38646
   36    35 S   O2Z  _O31    30     1.26401   115.40337   -44.34134
   37    35 S   O2Z  _O32    31     1.26355   114.98214   136.59402
   38    33 S   CM   _C11    38     1.51495   110.46796    73.99764
   39    33 S   CM   _C7_    50     1.52165   107.94936  -162.66488
   40    38 S   CM   _C12    39     1.34126   120.60691   -97.55863
   41    40 S   HC   _H12    40     1.08479   121.94563     0.21029
   42    39 S   CT   _C5_    51     1.53494   114.31700    84.75346
   43    42 S   HC   _H8_    52     1.09880   107.68791   -14.53133
   44    40 S   CO4  _C13    41     1.48027   121.43993   178.98259
   45    44 S   O    _O33    42     1.22842   117.69770  -176.55224
   46    42 S   CT   _C4_    53     1.53057   111.31771   101.86193
   47    46 S   HC   _H5_    54     1.09501   111.89091    66.85506
   48    46 S   HC   _H6_    55     1.09563   111.02050   -53.84395
   49    46 S   HC   _H7_    56     1.09550   110.51851  -173.21901
   50    42 S   CT   _C6_    57     1.53241   114.63162  -131.04633
   51    50 S   HC   _H9_    58     1.09400   112.51885   -74.01771
   52    50 S   HC   _H10    59     1.09604   110.05471   166.88811
   53    50 S   HC   _H11    60     1.09533   111.14947    47.87434
   54    44 S   CT   _C14    43     1.53550   117.83804     6.51033
   55    54 S   HC   _H3_    44     1.10433   103.14189    77.20230
   56    54 S   CT   _C15    45     1.57581   110.44652   -35.04419
   57    38 S   CM   _C10    46     1.46956   116.64428    82.38297
   58    56 S   CT   _C16    63     1.55441   108.00372   178.36362
   59    58 S   HC   _H13    64     1.09821   109.59983   -68.83086
   60    58 S   HC   _H14    65     1.09715   110.36523   173.07205
   61    56 S   CT   _C22    81     1.55233   114.10241   -61.78996
   62    61 S   HC   _H25    82     1.09047   113.17974   -76.94754
   63    61 S   HC   _H26    83     1.09776   110.60288   164.79767
   64    61 S   HC   _H27    84     1.09458   112.86883    44.74781
   65    57 S   CM   _C9_    47     1.35625   117.55224    24.61892
   66    58 S   CT   _C17    66     1.52548   114.63228    51.53925
   67    66 S   HC   _H15    67     1.09395   111.22956    66.59553
   68    66 S   HC   _H16    68     1.09695   108.82269  -177.16883
   69    65 S   CMA  _C8_    48     1.49175   123.27290     4.73139
   70    69 S   OM   _O35    49     1.26352   111.19879   160.65991
   71    65 S   OH   _O34    61     1.38713   121.34117  -175.80997
   72    71 S   HO   _H28    62     0.97533   105.82117  -176.16559
   73    66 S   CT   _C18    69     1.51900   111.11406   -57.26709
   74    73 S   HC   _H17    70     1.09769   108.99637   179.96574
   75    73 S   HC   _H18    71     1.09891   108.03548   -65.31502
   76    54 S   CT   _C19    72     1.57222   114.62607  -169.76121
   77    76 S   CT   _C20    73     1.54182   114.29300    56.89937
   78    77 S   HC   _H19    74     1.09334   112.30917   -55.60661
   79    77 S   HC   _H20    75     1.09711   110.49821  -174.64493
   80    77 S   HC   _H21    76     1.08928   113.14011    66.48324
   81    76 S   CT   _C21    77     1.55267   110.37467   -63.93081
   82    81 S   HC   _H22    78     1.09301   112.65467    70.64219
   83    81 S   HC   _H23    79     1.09581   111.29260   -50.65925
   84    81 S   HC   _H24    80     1.09686   110.89466  -170.03034
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  15   6   2   1   1  14  16   9   4  12   9  11   4   8   3   2
   1   4   2   1   1  24   8  18  14  14   6   5   6   2   1   1
   4   8   5   4   3   1   1   1  11   4   3   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    57    69    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    56    57    65    69    70    39    42    43    46    50  
   38    40    57    69    39    42  
   36    37  
   37  
    0  
   40    41    44    45    54    56    57    65    69    39    42    71    58    61  
   42    43    46    47    48    49    50    51    52    53    71    40    57    65    69    70  
   41    44    45    54    55    56    57    65    76  
   44    45    54    57  
   43    46    47    48    49    50    51    52    53    65    69    70  
   46    47    48    49    50    51    52    53    69  
   45    54    55    56    57    58    73    76    77    81    61  
   54    55    56    76  
   47    48    49    50    51    52    53    69  
   48    49    50  
   49    50  
   50  
   51    52    53    69  
   52    53  
   53  
    0  
   55    56    57    65    58    59    60    66    73    74    75    76    77    78    79    80    81    82    83    84    61    62    63    64  
   56    57    58    73    76    77    81    61  
   57    65    69    71    58    59    60    66    67    68    73    76    77    81    61    62    63    64  
   65    69    70    71    72    58    59    60    66    76    61    62    63    64  
   59    60    66    67    68    73    74    75    76    61    62    63    64    65  
   60    66    67    68    73    61  
   66    67    68    73    61  
   62    63    64    65    66    76  
   63    64  
   64  
    0  
   69    70    71    72  
   67    68    73    74    75    76    77    81  
   68    73    74    75    76  
   73    74    75    76  
   70    71    72  
   71  
   72  
    0  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    81  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   71   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   549.000  1.340
   38    57   380.000  1.444
   40    41   340.000  1.080
   40    44   320.000  1.462
   44    45   570.000  1.229
   44    54   317.000  1.522
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    76   268.000  1.529
   56    57   317.000  1.510
   56    58   268.000  1.529
   56    61   268.000  1.529
   57    65   549.000  1.340
   65    69   465.000  1.376
   65    71   510.000  1.338
   69    70   745.000  1.250
   69    39   465.000  1.376
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   71    72   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    57    70.00000  124.00000
   33    39    69    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    65.00000  118.96000
   38    57    56    70.00000  124.00000
   38    57    65    70.00000  123.01800
   40    44    45    80.00000  123.72100
   40    44    54    65.00000  118.62400
   44    40    41    40.00000  117.72500
   44    54    55    35.00000  109.50000
   44    54    56    63.00000  111.10000
   44    54    76    63.00000  111.10000
   54    44    45    80.00000  120.40000
   54    56    57    70.00000  112.02700
   54    56    58    58.35000  112.70000
   54    56    61    58.35000  112.70000
   54    76    73    58.35000  112.70000
   54    76    77    58.35000  112.70000
   54    76    81    58.35000  112.70000
   56    54    55    37.50000  110.70000
   56    57    65    70.00000  124.00000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    66    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    37.50000  110.70000
   57    38    40    70.00000  123.01800
   57    65    69    70.00000  117.34000
   57    65    71    80.00000  121.38400
   65    69    70    65.00000  137.10300
   65    69    39    70.00000  123.01800
   65    71    72    70.00000  107.45700
   69    39    42    70.00000  124.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    69    70    65.00000  137.10300
   39    42    43    35.00000  109.50000
   39    42    46    70.00000  112.02700
   39    42    50    70.00000  112.02700
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    53    37.50000  110.70000
   46    42    43    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   71    65    69    80.00000  121.38400
   58    56    57    70.00000  112.02700
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    73    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    58.35000  112.70000
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    54    55    37.50000  110.70000
   76    54    56    58.35000  112.70000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    78    37.50000  110.70000
   76    77    79    37.50000  110.70000
   76    77    80    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   61    56    57    70.00000  112.02700
   61    56    58    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    57   0.42700  1.0 1.0
   29    33    38    57  -0.70350 -1.0 2.0
   29    33    38    57  -0.43150  1.0 3.0
   29    33    39    69   0.42700  1.0 1.0
   29    33    39    69  -0.70350 -1.0 2.0
   29    33    39    69  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    57    56   0.35650  1.0 1.0
   33    38    57    56   0.31450 -1.0 2.0
   33    38    57    65  -0.18600  1.0 3.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    46   0.46850  1.0 1.0
   33    39    42    46   0.08550 -1.0 2.0
   33    39    42    46   0.09800  1.0 3.0
   33    39    42    50   0.46850  1.0 1.0
   33    39    42    50   0.08550 -1.0 2.0
   33    39    42    50   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    69   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    69  -0.28300  1.0 1.0
   38    33    39    69   0.26700 -1.0 2.0
   38    33    39    69  -0.63300  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    44    45   1.00000 -1.0 2.0
   38    40    44    54  -0.33500  1.0 1.0
   38    40    44    54   1.06600 -1.0 2.0
   38    40    44    54  -0.14000  1.0 3.0
   38    57   -65    69   7.00000 -1.0 2.0
   38    57    65    71   7.00000 -1.0 2.0
   40    38    57    56  -0.18600  1.0 3.0
   40    38    57    65   0.28850  1.0 1.0
   40    38    57    65   2.61350 -1.0 2.0
   40    38    57    65   0.78400  1.0 3.0
   40    44    54    55   0.00000  1.0 1.0
   40    44   -54    56   0.65300  1.0 1.0
   40    44   -54    56  -0.03850 -1.0 2.0
   40    44   -54    56   0.33900  1.0 3.0
   40    44    54    76   0.65300  1.0 1.0
   40    44    54    76  -0.03850 -1.0 2.0
   40    44    54    76   0.33900  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    54   0.04550  1.0 1.0
   41    40    44    54   0.83000 -1.0 2.0
   41    40    44    54  -0.04000  1.0 3.0
   44    54    56    57  -0.98800  1.0 1.0
   44    54    56    57   0.48800 -1.0 2.0
   44    54    56    57   0.76800  1.0 3.0
   44    54    56    58  -0.95700  1.0 1.0
   44    54    56    58  -0.18200 -1.0 2.0
   44    54    56    58   0.29450  1.0 3.0
   44    54    56    61  -0.95700  1.0 1.0
   44    54    56    61  -0.18200 -1.0 2.0
   44    54    56    61   0.29450  1.0 3.0
   44    54    76    73  -0.95700  1.0 1.0
   44    54    76    73  -0.18200 -1.0 2.0
   44    54    76    73   0.29450  1.0 3.0
   44    54    76    77  -0.95700  1.0 1.0
   44    54    76    77  -0.18200 -1.0 2.0
   44    54    76    77   0.29450  1.0 3.0
   44    54    76    81  -0.95700  1.0 1.0
   44    54    76    81  -0.18200 -1.0 2.0
   44    54    76    81   0.29450  1.0 3.0
   45    44    54    55   0.00000  1.0 1.0
   45    44    54    56   0.30150 -1.0 2.0
   45    44    54    76   0.30150 -1.0 2.0
   54    56   -57    38   0.98200  1.0 1.0
   54    56   -57    38  -0.11900 -1.0 2.0
   54    56   -57    38   0.24250  1.0 3.0
   54    56    57    65   0.09850  1.0 1.0
   54    56    57    65   0.15250 -1.0 2.0
   54    56    57    65  -0.50650  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    60   0.15000  1.0 3.0
   54    56    58    66   0.56750  1.0 1.0
   54    56    58    66  -0.07550 -1.0 2.0
   54    56    58    66   0.20000  1.0 3.0
   54    56    61    62   0.15000  1.0 3.0
   54    56    61    63   0.15000  1.0 3.0
   54    56    61    64   0.15000  1.0 3.0
   54    76    77    78   0.15000  1.0 3.0
   54    76    77    79   0.15000  1.0 3.0
   54    76    77    80   0.15000  1.0 3.0
   54    76    81    82   0.15000  1.0 3.0
   54    76    81    83   0.15000  1.0 3.0
   54    76    81    84   0.15000  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    61   0.15000  1.0 3.0
   55    54    76    73   0.15000  1.0 3.0
   55    54    76    77   0.15000  1.0 3.0
   55    54    76    81   0.15000  1.0 3.0
   56    54    76    73   0.56750  1.0 1.0
   56    54    76    73  -0.07550 -1.0 2.0
   56    54    76    73   0.20000  1.0 3.0
   56    54    76    77   0.56750  1.0 1.0
   56    54    76    77  -0.07550 -1.0 2.0
   56    54    76    77   0.20000  1.0 3.0
   56    54    76    81   0.56750  1.0 1.0
   56    54    76    81  -0.07550 -1.0 2.0
   56    54    76    81   0.20000  1.0 3.0
   56    57    65    69   7.00000 -1.0 2.0
   56    57    65    71   7.00000 -1.0 2.0
   56    58    66    67   0.15000  1.0 3.0
   56    58    66    68   0.15000  1.0 3.0
   56    58   -66    73   0.56750  1.0 1.0
   56    58   -66    73  -0.07550 -1.0 2.0
   56    58   -66    73   0.20000  1.0 3.0
   57    38    40    41   7.00000 -1.0 2.0
   57    38   -40    44   7.00000 -1.0 2.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    66   0.34400  1.0 1.0
   57    56    58    66   0.09450 -1.0 2.0
   57    56    58    66   0.11100  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   57    65    69    70   7.00000 -1.0 2.0
   57    65    69    39   7.00000 -1.0 2.0
   57    65    71    72  -0.66100  1.0 1.0
   57    65    71    72   1.20850 -1.0 2.0
   57    65    71    72  -0.36000  1.0 3.0
   65    69   -39    33   7.00000 -1.0 2.0
   65    69    39    42   7.00000 -1.0 2.0
   69    65    71    72  -0.66100  1.0 1.0
   69    65    71    72   1.20850 -1.0 2.0
   69    65    71    72  -0.36000  1.0 3.0
   69    39    42    43   0.00000  1.0 1.0
   69    39    42    46   0.09850  1.0 1.0
   69    39    42    46   0.15250 -1.0 2.0
   69    39    42    46  -0.50650  1.0 3.0
   69    39    42    50   0.09850  1.0 1.0
   69    39    42    50   0.15250 -1.0 2.0
   69    39    42    50  -0.50650  1.0 3.0
   70    69    39    33   7.00000 -1.0 2.0
   70    69    39    42   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33   -38    57  -0.28300  1.0 1.0
   39    33   -38    57   0.26700 -1.0 2.0
   39    33   -38    57  -0.63300  1.0 3.0
   39    42    46    47   0.15000  1.0 3.0
   39    42    46    48   0.15000  1.0 3.0
   39    42    46    49   0.15000  1.0 3.0
   39    42    50    51   0.15000  1.0 3.0
   39    42    50    52   0.15000  1.0 3.0
   39    42    50    53   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    53   0.15000  1.0 3.0
   46    42    50    51   0.15000  1.0 3.0
   46    42    50    52   0.15000  1.0 3.0
   46    42    50    53   0.15000  1.0 3.0
   50    42    46    47   0.15000  1.0 3.0
   50    42    46    48   0.15000  1.0 3.0
   50    42    46    49   0.15000  1.0 3.0
   71    65    69    70   7.00000 -1.0 2.0
   71    65    69    39   7.00000 -1.0 2.0
   58    56    57    38   0.98200  1.0 1.0
   58    56    57    38  -0.11900 -1.0 2.0
   58    56    57    38   0.24250  1.0 3.0
   58    56    57    65   0.09850  1.0 1.0
   58    56    57    65   0.15250 -1.0 2.0
   58    56    57    65  -0.50650  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.15000  1.0 3.0
   58    66    73    74   0.15000  1.0 3.0
   58    66    73    75   0.15000  1.0 3.0
   58    66    73    76   0.56750  1.0 1.0
   58    66    73    76  -0.07550 -1.0 2.0
   58    66    73    76   0.20000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    73   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    73   0.15000  1.0 3.0
   66    73   -76    54   0.56750  1.0 1.0
   66    73   -76    54  -0.07550 -1.0 2.0
   66    73   -76    54   0.20000  1.0 3.0
   66    73    76    77   0.56750  1.0 1.0
   66    73    76    77  -0.07550 -1.0 2.0
   66    73    76    77   0.20000  1.0 3.0
   66    73    76    81   0.56750  1.0 1.0
   66    73    76    81  -0.07550 -1.0 2.0
   66    73    76    81   0.20000  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.15000  1.0 3.0
   73    76    77    78   0.15000  1.0 3.0
   73    76    77    79   0.15000  1.0 3.0
   73    76    77    80   0.15000  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76    81    83   0.15000  1.0 3.0
   73    76    81    84   0.15000  1.0 3.0
   74    73    76    54   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   75    73    76    54   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    81   0.15000  1.0 3.0
   76    54    56    57   0.34400  1.0 1.0
   76    54    56    57   0.09450 -1.0 2.0
   76    54    56    57   0.11100  1.0 3.0
   76    54   -56    58   0.56750  1.0 1.0
   76    54   -56    58  -0.07550 -1.0 2.0
   76    54   -56    58   0.20000  1.0 3.0
   76    54    56    61   0.56750  1.0 1.0
   76    54    56    61  -0.07550 -1.0 2.0
   76    54    56    61   0.20000  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.15000  1.0 3.0
   81    76    77    78   0.15000  1.0 3.0
   81    76    77    79   0.15000  1.0 3.0
   81    76    77    80   0.15000  1.0 3.0
   61    56    57    38   0.98200  1.0 1.0
   61    56    57    38  -0.11900 -1.0 2.0
   61    56    57    38   0.24250  1.0 3.0
   61    56    57    65   0.09850  1.0 1.0
   61    56    57    65   0.15250 -1.0 2.0
   61    56    57    65  -0.50650  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    66   0.56750  1.0 1.0
   61    56    58    66  -0.07550 -1.0 2.0
   61    56    58    66   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    57    38    40   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   40    54    44    45  10.50000 -1.0 2.0
   38    56    57    65   1.10000 -1.0 2.0
   69    71    65    57   1.10000 -1.0 2.0
   65    70    69    39   1.10000 -1.0 2.0
   33    42    39    69   1.10000 -1.0 2.0
END
